2-methyl-5-[3-(2-methylpropyl)phenyl]aniline

C17H21N — CID 116545232

IUPAC2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
SMILESCc1ccc(-c2cccc(CC(C)C)c2)cc1N
InChIInChI=1S/C17H21N/c1-12(2)9-14-5-4-6-15(10-14)16-8-7-13(3)17(18)11-16/h4-8,10-12H,9,18H2,1-3H3
InChIKeyOOQUICARSYJPFM-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.44
Rot. Bonds3

About 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline

2-methyl-5-[3-(2-methylpropyl)phenyl]aniline (PubChem CID 116545232) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
PubChem CID116545232
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
SMILESCc1ccc(-c2cccc(CC(C)C)c2)cc1N
InChIInChI=1S/C17H21N/c1-12(2)9-14-5-4-6-15(10-14)16-8-7-13(3)17(18)11-16/h4-8,10-12H,9,18H2,1-3H3
InChIKeyOOQUICARSYJPFM-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline?
The IUPAC name of 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline (CID 116545232) is 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline.
What is the SMILES notation for 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline?
The canonical SMILES for 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline is Cc1ccc(-c2cccc(CC(C)C)c2)cc1N.
What is the InChIKey of 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline?
The InChIKey is OOQUICARSYJPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12(2)9-14-5-4-6-15(10-14)16-8-7-13(3)17(18)11-16/h4-8,10-12H,9,18H2,1-3H3.
What are the key properties of 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline?
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2-methylpropyl)phenyl]aniline is sourced from PubChem (CID 116545232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).